[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C68H57F15N12O7 — CID 159846110

IUPAC[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-c1ncco1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)c(-c2ncccn2)c1
InChIInChI=1S/C23H18F6N4O2.C23H21F4N5O2.C22H18F5N3O3/c1-12-18(35-21-17(26)8-13(9-32-21)23(27,28)29)6-3-7-33(12)22(34)15-4-2-5-16(25)19(15)20-30-10-14(24)11-31-20;1-13-9-16(20-28-6-4-7-29-20)19(30-11-13)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27;1-12-17(33-19-16(24)10-13(11-29-19)22(25,26)27)6-3-8-30(12)21(31)14-4-2-5-15(23)18(14)20-28-7-9-32-20/h2,4-5,8-12,18H,3,6-7H2,1H3;4,6-7,9-12,14,18H,3,5,8H2,1-2H3;2,4-5,7,9-12,17H,3,6,8H2,1H3/t12-,18+;14-,18+;12-,17+/m000/s1
InChIKeyNPHZSWYSOUVAFV-DMDCYTFGSA-N
MW1439.25 g/mol
LogP14.62
Rot. Bonds12

About [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 159846110) has the molecular formula C68H57F15N12O7 and a molecular weight of 1439.25 g/mol. Its IUPAC name is [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID159846110
Molecular FormulaC68H57F15N12O7
Molecular Weight1439.25 g/mol
Exact Mass1438.42
IUPAC Name[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-c1ncco1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)c(-c2ncccn2)c1
InChIInChI=1S/C23H18F6N4O2.C23H21F4N5O2.C22H18F5N3O3/c1-12-18(35-21-17(26)8-13(9-32-21)23(27,28)29)6-3-7-33(12)22(34)15-4-2-5-16(25)19(15)20-30-10-14(24)11-31-20;1-13-9-16(20-28-6-4-7-29-20)19(30-11-13)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27;1-12-17(33-19-16(24)10-13(11-29-19)22(25,26)27)6-3-8-30(12)21(31)14-4-2-5-15(23)18(14)20-28-7-9-32-20/h2,4-5,8-12,18H,3,6-7H2,1H3;4,6-7,9-12,14,18H,3,5,8H2,1-2H3;2,4-5,7,9-12,17H,3,6,8H2,1H3/t12-,18+;14-,18+;12-,17+/m000/s1
InChIKeyNPHZSWYSOUVAFV-DMDCYTFGSA-N
XLogP14.62
TPSA217.77 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.25
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

US9611277, Example 73
CID 86271039
(2-fluoro-6-(pyrimidin-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 90404142
(3-fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 90404753
(5-fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 90405104
(4-fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 90405809
(2-(5-fluoropyrimidin-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 90442588
(5-fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-3-((3-fluoro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)methanone
CID 117629956
(4-fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-3-((3-fluoro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)methanone
CID 117629981
(5-fluoro-2-(oxazol-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 117629998
((2S,3R)-3-((3-fluoro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(2-(pyrimidin-2-yl)phenyl)methanone
CID 117630258
US9611277, Example 250
CID 117630824
(3-fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-3-((3-fluoro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methylpiperidin-1-yl)methanone
CID 117631032

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 159846110) is [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-c1ncco1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)c(-c2ncccn2)c1.
What is the InChIKey of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is NPHZSWYSOUVAFV-DMDCYTFGSA-N. The full InChI is InChI=1S/C23H18F6N4O2.C23H21F4N5O2.C22H18F5N3O3/c1-12-18(35-21-17(26)8-13(9-32-21)23(27,28)29)6-3-7-33(12)22(34)15-4-2-5-16(25)19(15)20-30-10-14(24)11-31-20;1-13-9-16(20-28-6-4-7-29-20)19(30-11-13)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27;1-12-17(33-19-16(24)10-13(11-29-19)22(25,26)27)6-3-8-30(12)21(31)14-4-2-5-15(23)18(14)20-28-7-9-32-20/h2,4-5,8-12,18H,3,6-7H2,1H3;4,6-7,9-12,14,18H,3,5,8H2,1-2H3;2,4-5,7,9-12,17H,3,6,8H2,1H3/t12-,18+;14-,18+;12-,17+/m000/s1.
What are the key properties of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 1439.25 g/mol, XLogP of 14.62, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 159846110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).